Crystallography Open Database

Information card for entry 7052823

Preview

Coordinates	7052823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H62 Cl8 Cr Fe N8
Calculated formula	C76 H62 Cl8 Cr Fe N8
Title of publication	Structure and magnetic properties of ionic compound (Cp*2Cr+)·(FeIPc−)·(C6H4Cl2)4 containing negatively charged iron phthalocyanine
Authors of publication	Konarev, Dmitri V.; Zorina, Leokadia V.; Khasanov, Salavat S.; Hakimova, El'za U.; Lyubovskaya, Rimma N.
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	1
Pages of publication	48
a	10.5331 ± 0.0012 Å
b	12.31 ± 0.0011 Å
c	14.9616 ± 0.0013 Å
α	98.283 ± 0.007°
β	110.587 ± 0.009°
γ	106.472 ± 0.009°
Cell volume	1676.1 ± 0.3 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1396
Residual factor for significantly intense reflections	0.0974
Weighted residual factors for significantly intense reflections	0.2153
Weighted residual factors for all reflections included in the refinement	0.2338
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180082 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/28.	7052823.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052823.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052823.cif
33519	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7052823 via cif-deposit CGI script.	7052823.cif